6-[3-ethoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine

C18H15F3N4O — CID 53353514

IUPAC6-[3-ethoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine
SMILESCCOc1cc(-c2nnc(N)nc2-c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N4O/c1-2-26-14-9-12(8-13(10-14)18(19,20)21)16-15(23-17(22)25-24-16)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H2,22,23,25)
InChIKeyHWUSTNONNYWCDP-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.21
Rot. Bonds4

About 6-[3-ethoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine

6-[3-ethoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 53353514) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is 6-[3-ethoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-[3-ethoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine
PubChem CID53353514
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name6-[3-ethoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine
SMILESCCOc1cc(-c2nnc(N)nc2-c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N4O/c1-2-26-14-9-12(8-13(10-14)18(19,20)21)16-15(23-17(22)25-24-16)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H2,22,23,25)
InChIKeyHWUSTNONNYWCDP-UHFFFAOYSA-N
XLogP4.21
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-ethoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-[3-ethoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine (CID 53353514) is 6-[3-ethoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-[3-ethoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-[3-ethoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine is CCOc1cc(-c2nnc(N)nc2-c2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of 6-[3-ethoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is HWUSTNONNYWCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c1-2-26-14-9-12(8-13(10-14)18(19,20)21)16-15(23-17(22)25-24-16)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H2,22,23,25).
What are the key properties of 6-[3-ethoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine?
6-[3-ethoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 360.34 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-ethoxy-5-(trifluoromethyl)phenyl]-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 53353514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).